# Fileset [polymlp.yaml.xz](https://mdr.nims.go.jp/filesets/e65c6c95-27a9-48ea-af58-c7bdeff7245c/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [First-principles lattice thermal conductivity calculation for Pr2Se2O / P2_1/c (14) / materials id 10925](https://mdr.nims.go.jp/datasets/c97b48c1-58a4-43b0-8d81-331c62279b6d) ## Fulltext elements: [O, Se, Pr]cutoff: 8.0pair_type: gaussianfeature_type: gtinvmodel_type: 3max_p: 2max_l: 8gtinv_order: 3gtinv_maxl: [8, 8]gtinv_sym: [0, 0]gtinv_version: 1electrostatic: 0mass: [16.0, 78.96, 140.9]n_pair_params: 11pair_params:- [1.0, 0.0]- [1.0, 0.7777777777777778]- [1.0, 1.5555555555555556]- [1.0, 2.3333333333333335]- [1.0, 3.111111111111111]- [1.0, 3.888888888888889]- [1.0, 4.666666666666667]- [1.0, 5.444444444444445]- [1.0, 6.222222222222222]- [1.0, 7.0]- [0.0, 0.0]n_type_pairs: 6type_pairs:- atom_type_pair: [0, 0] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [0, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 1] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [1, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]- atom_type_pair: [2, 2] pair_params_indices: [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]type_full: 1type_indices: [0, 1, 2]n_coeffs: 38511coeffs: [2.100593915705176e+00, 6.358279433834693e+01, -1.252149091078454e+00, 4.484430606944667e+02, 4.919338272590555e+01, 2.906250546593024e+03, -8.054912571836880e+02, -1.621589813336469e+06, -1.709306973693595e+03, 0.000000000000000e+00, 4.506434539957173e+04, 0.000000000000000e+00, 6.578766070816251e+06, 2.152587896291648e+02, -1.067299822621062e+04, 3.901663731401635e+05, 0.000000000000000e+00, 0.000000000000000e+00, 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